Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.39 |
| ▸ | PLA2G2C | Q5R387 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.34 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1388452 | 0.91 | CA2 (0.48) | CA2CA1TAS1R3TAS1R1PLA2G2C | |
| Hydrochloric Acid SCHEMBL10822847 | 0.89 | CA2 (0.47) | CA2CA1TAS1R3TAS1R1PLA2G2C | |
| SCHEMBL3856821 | 0.89 | CA2 (0.36) | CA2CA1CA12MMP1MMP2 | |
| SCHEMBL529507 | 0.89 | PLA2G2C (0.46) | CA2CA1PLA2G2CMAPK1PLA2G10 | |
| Hydrochloric Acid SCHEMBL28811673 | 0.87 | PLA2G2C (0.45) | CA2CA1PLA2G2CMAPK1PLA2G10 | |
| SCHEMBL27992370 | 0.87 | PLA2G2C (0.49) | PLA2G2CPLA2G10 | |
| SCHEMBL11292593 | 0.87 | PLA2G2C (0.49) | PLA2G2CPLA2G10 | |
| SCHEMBL27793369 | 0.87 | PLA2G2C (0.49) | PLA2G2CPLA2G10 | |
| SCHEMBL28618729 | 0.87 | PLA2G2C (0.49) | PLA2G2CPLA2G10 | |
| SCHEMBL11168552 | 0.87 | PLA2G2C (0.49) | PLA2G2CPLA2G10 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115350660-A | Device and method for preparing 1, 5-pentamethylene diisocyanate by non-phosgene method | 中国科学院过程工程研究所 | 2022-11-18 | — | — | CN | disclosed |
| CN-115073327-A | Method for preparing pentanedicarbamate by using urea as carbonylation agent | 中国科学院过程工程研究所 | 2022-09-20 | — | — | CN | disclosed |